4-trans-ethynyl-cis-2,6,6-trimethylbicyclo[3.1.1]-2-hepten-4-ol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-trans-ethynyl-cis-2,6,6-trimethylbicyclo[3.1.1]-2-hepten-4-ol
• 英文别名: (1R,2R,5R)-2-ethynyl-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: HKBANSQGUKULIJ-CKYFFXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  马鞭草烯酮 、 乙炔氢锂 在 水 作用下， 反应 22.0h， 以82%的产率得到4-trans-ethynyl-cis-2,6,6-trimethylbicyclo[3.1.1]-2-hepten-4-ol
  参考文献：
  名称：

  摘要：

  Lithium acetylide was reacted with adamantanone, verbanone, and verbenone to obtain their hydroxyethynyl derivatives whose reaction with aqueous ammonia solution of silver nitrate gave the corresponding polycycloaliphatic silver acetylides. The latter react with iodine, yielding hydroxyethynyl iodides. Acetates of the adamantane-containing ethynyl alcohols were prepared.

  DOI：

  10.1023/a:1012320026253

文献信息

• ——
  作者：E. A. Dikusar、N. G. Kozlov、S. S. Koval'skaya、L. A. Popova、K. L. Moiseichuk

  DOI：10.1023/a:1012320026253

  日期：——

  Lithium acetylide was reacted with adamantanone, verbanone, and verbenone to obtain their hydroxyethynyl derivatives whose reaction with aqueous ammonia solution of silver nitrate gave the corresponding polycycloaliphatic silver acetylides. The latter react with iodine, yielding hydroxyethynyl iodides. Acetates of the adamantane-containing ethynyl alcohols were prepared.